CID 480801

Kazinol n

Structural Information

Molecular Formula
C26H32O4
SMILES
CC(=CCC1=C2C=CC(OC2=C(C=C1CCCC3=C(C=C(C=C3)O)OC)O)(C)C)C
InChI
InChI=1S/C26H32O4/c1-17(2)9-12-21-19(8-6-7-18-10-11-20(27)16-24(18)29-5)15-23(28)25-22(21)13-14-26(3,4)30-25/h9-11,13-16,27-28H,6-8,12H2,1-5H3
InChIKey
VUUFGJVPGXHWSO-UHFFFAOYSA-N
Compound name
6-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2,2-dimethyl-5-(3-methylbut-2-enyl)chromen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

408.23007 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.23735 203.4
[M+Na]+ 431.21929 210.4
[M-H]- 407.22279 208.9
[M+NH4]+ 426.26389 215.1
[M+K]+ 447.19323 206.0
[M+H-H2O]+ 391.22733 195.1
[M+HCOO]- 453.22827 217.7
[M+CH3COO]- 467.24392 225.7
[M+Na-2H]- 429.20474 202.9
[M]+ 408.22952 207.9
[M]- 408.23062 207.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe